Mercurial > repos > marpiech > norwich_docking_tools
comparison galaxy-tools/tools/rdock/bin/make_grid.csh @ 2:0faa03a92843 draft default tip
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author | dzesikah |
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date | Fri, 26 Aug 2016 10:19:49 -0400 |
parents | ad4bc82457e5 |
children |
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1:ad4bc82457e5 | 2:0faa03a92843 |
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1 #!/bin/csh -f | |
2 # Creates vdW grids for all receptor prm files listed on command line | |
3 # | |
4 set gridstep = 0.3 | |
5 set border = 1.0 | |
6 | |
7 foreach grid ('vdw1' 'vdw5') | |
8 foreach file ($argv) | |
9 $RBT_ROOT/bin/rbcalcgrid -r${file} -pcalcgrid_${grid}.prm -o_${grid}.grd -g${gridstep} -b${border} | |
10 end | |
11 end |